Propanoic acid,2,2-dimethyl-, hexyl ester

Modify Date: 2025-09-12 21:12:22

Propanoic acid,2,2-dimethyl-, hexyl ester Structure
Propanoic acid,2,2-dimethyl-, hexyl ester structure
 Common Name Propanoic acid,2,2-dimethyl-, hexyl ester
CAS Number 5434-57-1 Molecular Weight 186.29100
Density 0.871g/cm3 Boiling Point 203.2ºC at 760mmHg
Molecular Formula C11H22O2 Melting Point N/A
MSDS N/A Flash Point 76.7ºC

 Names

Name hexyl 2,2-dimethylpropanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.871g/cm3
Boiling Point 203.2ºC at 760mmHg
Molecular Formula C11H22O2
Molecular Weight 186.29100
Flash Point 76.7ºC
Exact Mass 186.16200
PSA 26.30000
LogP 3.15600
Index of Refraction 1.426
InChIKey RQSINLZXJXXKOH-UHFFFAOYSA-N
SMILES CCCCCCOC(=O)C(C)(C)C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TO7876600
CHEMICAL NAME :
Pivalic acid, hexyl ester
CAS REGISTRY NUMBER :
5434-57-1
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C11-H22-O2
MOLECULAR WEIGHT :
186.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,723,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,723,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,723,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6878 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

 Safety Information

HS Code 2915900090

 Synthetic Route

1-(2,5-dichlorophenyl)-2,2-bis(methylthio)vinyl pivalate structure

1-(2,5-dichloro...

CAS#:243990-73-0

1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~87%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Degani; Dughera; Fochi; Serra Synthesis, 1999 , # 7 p. 1200 - 1208
Pivaloyl chloride structure

Pivaloyl chloride

CAS#:3282-30-2

~%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Degani; Dughera; Fochi; Serra Synthesis, 1999 , # 7 p. 1200 - 1208
2,2-Dimethyl-1-(2-Thioxothiazolidin-3-Yl)Propan-1-One structure

2,2-Dimethyl-1-...

CAS#:138459-91-3

1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~94%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Yamada, Shinji; Sugaki, Takayuki; Matsuzaki, Kazuhiro Journal of Organic Chemistry, 1996 , vol. 61, # 17 p. 5932 - 5938
N-(dimethylpropionyl)oxazolidin-2-one structure

N-(dimethylprop...

CAS#:141923-62-8

1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~1%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Yamada, Shinji; Sugaki, Takayuki; Matsuzaki, Kazuhiro Journal of Organic Chemistry, 1996 , vol. 61, # 17 p. 5932 - 5938
carbon monoxide structure

carbon monoxide

CAS#:201230-82-2

1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Eidus,Ya.T. et al. Zhurnal Organicheskoi Khimii, 1968 , vol. 4, # 4 p. 580 - 584,568 - 572

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Synonyms

Hexyl neopentanoate
Pivalic acid,hexyl ester
n-Hexylneopentanoat
1-hexyl pivalate
Trimethylessigsaeure-hexylester
EINECS 226-602-5
Hexylneopentanoat
Hexyl 2,2-dimethylpropionate
Propanoic acid,2,2-dimethyl-,hexyl ester
Hexyl pivalate
n-Hexyl pivalate
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Chemsrc provides CAS#:5434-57-1 MSDS, density, melting point, boiling point, structure, etc. Its name is Propanoic acid,2,2-dimethyl-, hexyl ester>> amp version: Propanoic acid,2,2-dimethyl-, hexyl ester

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